3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide

C17H16ClFN2O2 — CID 113127279

IUPAC3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClFN2O2/c1-12(22)21(16-4-2-3-13(18)11-16)10-9-17(23)20-15-7-5-14(19)6-8-15/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyMOVMWBHXDANFFC-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.86
Rot. Bonds5

About 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide

3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 113127279) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
PubChem CID113127279
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClFN2O2/c1-12(22)21(16-4-2-3-13(18)11-16)10-9-17(23)20-15-7-5-14(19)6-8-15/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyMOVMWBHXDANFFC-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-fluorophenyl)propanamide
CID 113127603
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide (CID 113127279) is 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is MOVMWBHXDANFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-12(22)21(16-4-2-3-13(18)11-16)10-9-17(23)20-15-7-5-14(19)6-8-15/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide?
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 334.78 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113127279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).